N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoranyl-3-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoro-3-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-fluoro-3-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoro-3-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-fluoro-3-nitro-benzamide Formula: C17H14FN3O3S MolecularWeight: 359.374763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14FN3O3S/c18-15-6-5-12(9-16(15)21(23)24)17(22)20-7-8-25-11-14-4-2-1-3-13(14)10-19/h1-6,9H,7-8,11H2,(H,20,22)